methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(propylcarbamothioylamino)pyridine-2-carboxylate

Systemtic Name: methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(propylcarbamothioylamino)pyridine-2-carboxylate Openeye Name: methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(propylcarbamothioylamino)pyridine-2-carboxylate CAS Name: 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[[propylamino(sulfanylidene)methyl]amino]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(propylcarbamothioylamino)pyridine-2-carboxylate Traditional Name: 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(propylthiocarbamoylamino)picolinic acid methyl ester Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC

Isomeric SMILES

CCCNC(=S)NC1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H21N5O5S/c1-5-8-18-17(28)20-11-7-6-10(14(19-11)15(23)26-4)27-16-21-12(24-2)9-13(22-16)25-3/h6-7,9H,5,8H2,1-4H3,(H2,18,19,20,28)